3-phenylpropyl 4-[(5-tert-butyl-2-methoxy-phenyl)methyl]benzenesulfonate

Systemtic Name: 3-phenylpropyl 4-[(5-tert-butyl-2-methoxy-phenyl)methyl]benzenesulfonate Openeye Name: 3-phenylpropyl 4-[(5-tert-butyl-2-methoxy-phenyl)methyl]benzenesulfonate CAS Name: 4-[(5-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(5-tert-butyl-2-methoxyphenyl)methyl]benzenesulfonate Traditional Name: 4-(5-tert-butyl-2-methoxy-benzyl)benzenesulfonic acid 3-phenylpropyl ester Formula: C27H32O4S MolecularWeight: 452.60558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)CC2=CC=C(C=C2)S(=O)(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)CC2=CC=C(C=C2)S(=O)(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H32O4S/c1-27(2,3)24-14-17-26(30-4)23(20-24)19-22-12-15-25(16-13-22)32(28,29)31-18-8-11-21-9-6-5-7-10-21/h5-7,9-10,12-17,20H,8,11,18-19H2,1-4H3